N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

C17H15BrN4O3S — CID 69379298

IUPACN-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1[nH]ncc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN4O3S/c18-13-6-8-14(9-7-13)26(24,25)22-15-11-20-21-16(15)17(23)19-10-12-4-2-1-3-5-12/h1-9,11,22H,10H2,(H,19,23)(H,20,21)
InChIKeyJEZACWIDRXQJFI-UHFFFAOYSA-N
MW435.30 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69379298) has the molecular formula C17H15BrN4O3S and a molecular weight of 435.30 g/mol. Its IUPAC name is N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69379298
Molecular FormulaC17H15BrN4O3S
Molecular Weight435.30 g/mol
Exact Mass434.00
IUPAC NameN-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1[nH]ncc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN4O3S/c18-13-6-8-14(9-7-13)26(24,25)22-15-11-20-21-16(15)17(23)19-10-12-4-2-1-3-5-12/h1-9,11,22H,10H2,(H,19,23)(H,20,21)
InChIKeyJEZACWIDRXQJFI-UHFFFAOYSA-N
XLogP2.90
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide
CID 69380102
N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide
CID 176892877
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
CID 69379072
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 69379298) is N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1)c1[nH]ncc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is JEZACWIDRXQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S/c18-13-6-8-14(9-7-13)26(24,25)22-15-11-20-21-16(15)17(23)19-10-12-4-2-1-3-5-12/h1-9,11,22H,10H2,(H,19,23)(H,20,21).
What are the key properties of N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 435.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).